SCHEMBL2119213

SCHEMBL2119213

COc1cc(S(=O)(=O)Nc2cc(-c3ccc(C#N)cc3)ccc2C)ncn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACLY P53396 6/20 0.49
HSD11B1 P28845 4/20 0.42
SGK1 O00141 1/20 0.41
ALPL P05186 3/20 0.40
STAT3 P40763 1/20 0.40
PIK3CA P42336 3/20 0.39
MTOR P42345 3/20 0.39
BRD1 O95696 2/20 0.38
BRPF1 P55201 2/20 0.38
BRPF3 Q9ULD4 2/20 0.38
BRD4 O60885 1/20 0.38
BRD9 Q9H8M2 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2119308 0.90 ACLY (0.39) ACLYHSD11B1SGK1ALPLSTAT3
SCHEMBL2119300 0.83 ACLY (0.54) ACLYHSD11B1STAT3PIK3CAMTOR
SCHEMBL2119029 0.81 ACLY (0.49) ACLYHSD11B1SGK1ALPLSTAT3
SCHEMBL2119631 0.81 GHSR (0.39) ACLY
SCHEMBL2119339 0.80 ACLY (0.48) ACLYHSD11B1ALPLSTAT3PIK3CA
SCHEMBL2121415 0.79 ACLY (0.54) ACLYHSD11B1ALPLSTAT3PIK3CA
SCHEMBL2121515 0.79 GHSR (0.43) BRD4
SCHEMBL2119877 0.78 EDNRA (0.40) MTOR
SCHEMBL2118441 0.78 MAPT (0.43) BRD4
SCHEMBL2121927 0.78 KDM4E (0.45) ACLYPIK3CAMTOR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095012-A1 TOLUIDINE SULFONAMIDES AND THEIR USE ELARA PHARMACEUTICALS GMBH (DE) 2012-04-19 US disclosed
EP-2382190-A1 TOLUIDINE SULFONAMIDES AND THEIR USE AS-INHIBITORS European Molecular Biology Laboratory (EMBL) (DE) 2011-11-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120095012-A1 TOLUIDINE SULFONAMIDES AND THEIR USE HIF1A, HIF1AN, EGLN3 ACLY 1578/4885HSD11B1 3376/4885SGK1 4188/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.